Studies of electron paramagnetic resonance parameters and structure of Ni2+-vacancy center for rhombic LiCl:Ni2+ crystal

► The g-factors and ZFS parameters are studied using high-order perturbation formulae. ► Contributions to g-factors and ZFS parameters from the CT mechanism are calculated. ► The local structure of LiCl:Ni2+ with rhombic symmetry (C2v) are determined.